Protein flexibility, flexible enzyme docking, drug discovery, structure based drug design
Model Study of Coherent-Control of the Femtosecond Primary Event of Vision, by Samuel C. Flores and Victor S. Batista. J. Phys. Chem. B 108, 6745, 2004.
The Database of Macromolecular Motions: new features added at the decade mark. S Flores, N Echols, D Milburn, B Hespenheide, K Keating, J Lu, S Wells, EZ Yu, M Thorpe, M Gerstein (2006) Nucleic Acids Res 34: D296-301.
Dissecting the mechanism of Epac activation by hydrogen/deuterium exchange FT-IR and structural modeling, by Shaoning Yu, Fenghui Fan, Samuel C. Flores, Fang Mei, and Xiaodong Cheng (2006) Biochemistry 45,15318-15326
FlexOracle: predicting flexible hinges by identification of stable domains, by Samuel Flores and Mark Gerstein (2007) BMC Bioinformatics 8: 215.
Hinge Atlas: relating sequence features to sites of structural flexibility, by S. Flores, L. J. Lu, K. Keating, E.Z. Yu, N. Carriero, L. Kuhn, and M. Gerstein, BMC Bioinformatics 8: 167.
HingeMaster: Normal mode hinge prediction approach and integration of complementary predictors, by S. Flores, K. Keating, J. Painter, E. Merritt, L. Kuhn, and Mark Gerstein, accepted, PROTEINS
StoneHinge: A Hinge Prediction Algorithm Using Rigidity Theory, by Keating, K., Flores, S., Kuhn, L. A. & Gerstein, M. (2006). under review
Conformation Explorer: solving the problem of induced fit, by Samuel Flores, Robert Bjornson, and Mark Gerstein, in preparation
Molecular Motions, by Samuel Flores and Mark Gerstein, The Pharma Frontier,2005 (http://molmovdb.org/help/PharmaForecast.pdf)
email: samuel.flores _at_ aya.yale.edu